Issues
- 7
Network files?
#57 opened by shubbey - 0
MultiGPU: Check failed: IsAligned()
#80 opened by bgobbi - 0
plugin for openMM
#79 opened by bgobbi - 2
Upload a pre-trained model
#63 opened by proteneer - 4
Add fittable "sqrt(A*B)/r^6 terms," analogous to the charge terms already added
#52 opened by jminuse - 1
Run-time parameter change
#74 opened by proteneer - 1
3-way merge
#68 opened by proteneer - 1
Expose ability to change activation function
#71 opened by proteneer - 1
Serialize models
#69 opened by proteneer - 1
Convolution - make connections not always dense
#67 opened by jminuse - 1
Remove 32 atom limit
#16 opened by proteneer - 3
- 4
Training against gradients, at least for equilibrium geometries (pull gradients toward zero)
#53 opened by jminuse - 1
- 1
modify save load to be in 64bit
#60 opened by proteneer - 0
Stabilize code
#59 opened by proteneer - 1
port gradient of the featurization to the GPU
#54 opened by proteneer - 1
Add ability to specify tower variable names
#50 opened by proteneer - 2
Return featurizations
#46 opened by proteneer - 1
- 0
Add TravisCI tests
#43 opened by proteneer - 1
Expand beyond CNOH
#28 opened by proteneer - 1
simple gpu kernels for charge
#40 opened by proteneer - 1
Analytic Gradients
#30 opened by proteneer - 2
Add support for Kq1q2/r fitting
#27 opened by proteneer - 1
Update Makefile to include .h files
#34 opened by proteneer - 1
CPU Featurizer
#14 opened by proteneer - 1
- 1
Remove GPU check
#26 opened by proteneer - 2
GPU kernel improvements
#23 opened by proteneer - 2
Activation function for atom_nn
#25 opened by miaecle - 2
optimize dataset loading more
#9 opened by proteneer - 1
cythonize featurizer.
#7 opened by proteneer - 1
multi-GPU training
#8 opened by proteneer